C18-C22-알킬-4-하이드록시벤조에이트

C18-C22-알킬-4-하이드록시벤조에이트 · C18-C22-Alkyl-4-hydroxybenzoat · Benzoic acid, 4-hydroxy- ester with alcohols C18-22-alkyl (even numbered)

https://huagongshe.com/ko/chemical/8434

식별자 및 물리적 특성

CAS No.	120-47-8
분자식	C9H10O3
평균 분자량	166.17 g/mol
SMILES	CCOC(=O)c1ccc(O)cc1
InChIKey	NUVBSKCKDOMJSU-UHFFFAOYSA-N
PubChem CID	8434
ChEMBL	CHEMBL15841
ChEBI	CHEBI:31575
EC No.	204-399-4
DTXSID	DTXSID9022528
현지명	C18-C22-알킬-4-하이드록시벤조에이트

화학 및 물리적 성질

XLogP	2.5
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	148
물질 분류	Other Uses -> Preservatives
화장품	Cosmetics ingredient -> Preservative/StabilizerCosmetic ingredients (Ethylparaben) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials Properties	Chemical shift
농약	Biocide
LogP(분배 계수)	log Kow = 2.472.25
냄새	Odorless
향미제	EU Flavoring substances
Color/Form	Small, colorless crystals or powder at room temperatureCrystals from dilute alcohol
용해도	In water, 8.85X10+2 mg/L at 25 °CSolubility in water at 25 °C is 0.075% w/wat 20 °C. 0.70% w/wSolubilities in various solvents [Table#2496]AT 25 °C: 0.5 G/100 G GLYCERINFor more Solubility (Complete) data for ETHYLPARABEN (6 total), please visit the HSDB record page.0.885 mg/mL at 25 °C
Endocrine Disruptors	Potential endocrine disrupting compound
끓는 점	297-298 °C (decomposition)298.00 °C. @ 760.00 mm Hg
Decomposition	When heated to decomposition it emits acrid smoke and fumes.
밀도	0.94-0.95g/cm3 at 20℃
증기압	0-0Pa at 20℃
물리적 상태	고체
LogP(분배 계수)	10.35-11.33

안전 및 규제

Special Reports
GHS 분류	This chemical does not meet GHS hazard criteria for 60.7% (811 of 1336) of all reports.DangerH304 (33.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P261, P264, P264+P265, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P331, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1336 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
규제 정보	Chemical: Benzoic acid, 4-hydroxy-, ethyl esterHazard Traits - Endocrine ToxicityReproductive ToxicityCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzoic acid, 4-hydroxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-hydroxy-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13843Status: Active Update: 08-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15930
기타 안전 정보	IMAP assessments - Parabens: Human health tier II assessment
유해성 요약	Parabens are an uncommon cause of allergic contact dermatitis[Marks, p. 115] A mild skin irritant with some evidence of skin sensitization in human studiesCaused mild eye irritation, no to minimal skin irritation, and no skin sensitization in animal studies[HSDB] An eye and mild skin irritantMay cause skin sensitization[eChemPortal: ERMA] Parabens can induce allergic contact dermatitis, mainly in chronic dermatitis and wounded skin. [Kanerva, p. 1822-3] May cause irritation[MSDSonline]
FDA 요건	Ethyl p-hydroxybenzoate is an indirect food additive for use only as a component of adhesives.